1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide

C19H20N4O — CID 96567499

IUPAC1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cnn1C
InChIInChI=1S/C19H20N4O/c1-13(22-19(24)18-12-21-23(3)14(18)2)15-6-8-16(9-7-15)17-5-4-10-20-11-17/h4-13H,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyTXYPFDPMLFGAGI-CYBMUJFWSA-N
MW320.40 g/mol
LogP3.28
Rot. Bonds4

About 1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 96567499) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID96567499
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cnn1C
InChIInChI=1S/C19H20N4O/c1-13(22-19(24)18-12-21-23(3)14(18)2)15-6-8-16(9-7-15)17-5-4-10-20-11-17/h4-13H,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyTXYPFDPMLFGAGI-CYBMUJFWSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330422
2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
CID 158029565
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
1-(1-methyl-2-oxo-3-pyridinyl)-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97020819
1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 71983829
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
1-prop-2-ynyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 96524118
1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 171315090
N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52534736
1-(3-hydroxypropyl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 111619428

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide (CID 96567499) is 1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide is Cc1c(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is TXYPFDPMLFGAGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13(22-19(24)18-12-21-23(3)14(18)2)15-6-8-16(9-7-15)17-5-4-10-20-11-17/h4-13H,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 96567499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).